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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Sep-2019 | 5_ads-m-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -580.14607558; eV | |||
 | 10-Sep-2019 | 2_ads-t_t-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -365.56927530; eV | |||
 | 10-Sep-2019 | 2_ads-m_t-4 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -365.26557213; eV | |||
 | 10-Sep-2019 | 2_ads-b_t-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -365.40817010; eV | |||
 | 10-Sep-2019 | 1_ads-t-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -291.75002067; eV | |||
 | 10-Sep-2019 | Bare_surface | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -213.08178245; eV | |||
 | 10-Sep-2019 | 4_ads-m_m_m_m-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jul 8 2016 11:28:16) complex | Geometry optimization | DFT | - | -510.31680976; eV | |||
 | 10-Sep-2019 | 4_ads-m_m_m_m-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -510.31166293; eV | |||
 | 10-Sep-2019 | 4_ads-b_b_t_m-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -511.41243273; eV | |||
 | 10-Sep-2019 | 4_ads-b_b_t_b-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -511.28841833; eV |
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